(4-methylphenyl)methyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: (4-methylphenyl)methyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: p-tolylmethyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionic acid (4-methylbenzyl) ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C(C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)[C@H](C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H23NO6S/c1-14-4-6-16(7-5-14)13-27-20(22)15(2)21-28(23,24)17-8-9-18-19(12-17)26-11-3-10-25-18/h4-9,12,15,21H,3,10-11,13H2,1-2H3/t15-/m0/s1